CID 11988372

Methyl (z)-4-(6,7-dihydroxy-2-naphthyl)-2-hydroxy-4-oxo-but-2-enoate

Structural Information

Molecular Formula
C15H12O6
SMILES
COC(=O)C(=O)/C=C(/C1=CC2=CC(=C(C=C2C=C1)O)O)\O
InChI
InChI=1S/C15H12O6/c1-21-15(20)14(19)7-11(16)9-3-2-8-5-12(17)13(18)6-10(8)4-9/h2-7,16-18H,1H3/b11-7-
InChIKey
YFZTXHXYPYCUMQ-XFFZJAGNSA-N
Compound name
methyl (Z)-4-(6,7-dihydroxynaphthalen-2-yl)-4-hydroxy-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.0634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 160.6
[M+Na]+ 311.05262 167.7
[M-H]- 287.05612 161.4
[M+NH4]+ 306.09722 175.0
[M+K]+ 327.02656 164.8
[M+H-H2O]+ 271.06066 154.7
[M+HCOO]- 333.06160 177.2
[M+CH3COO]- 347.07725 195.0
[M+Na-2H]- 309.03807 162.1
[M]+ 288.06285 161.6
[M]- 288.06395 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.